2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1)
2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 1567-0213 |
| Compound Name: | 2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 517.43 |
| Molecular Formula: | C23 H24 N3 O S |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)Sc2cc(ccc12)NC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2457 |
| logD: | 5.2457 |
| logSw: | -5.6585 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.5508 |
| InChI Key: | IYYRYYPASVADAQ-UHFFFAOYSA-O |